You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
natively it succeeds.
compiled w/ cl it succeeds natively and under DrMem.
% cat ../benchmarks/spec2000/fp/ammp/release-xp64-test/ammp.out.mis
0023: 1184.181101 bond energy
1.#QNAN0 bond energy
^
0024: 2142.294444 angle energy
66.916289 angle energy
^
0025: 58.175584 hybrid energy
1.#QNAN0 hybrid energy
^
0026: 528.275613 torsion energy
1.#QNAN0 torsion energy
^
0027: -15510.199509 non-bonded energy
1.#QNAN0 non-bonded energy
^
0028: -11597.272767 total potential energy
1.#QNAN0 total potential energy
^
0029: 8562.611532 total kinetic energy
1.#QNAN0 total kinetic energy
^
0030: -3034.661236 total energy
1.#QNAN0 total energy
^
0031: 20159.884299 total action
1.#QNAN0 total action
^
0035: RMSD 0.000003 Maximum Deviation 0.000015
RMSD 1.#QNAN0 Maximum Deviation 0.249758
^
0036: RMSD after superposition 0.000003
RMSD after superposition 1.#QNAN0
From derek.br...@gmail.com on December 10, 2010 17:45:25
PR 615015
natively it succeeds.
compiled w/ cl it succeeds natively and under DrMem.
% cat ../benchmarks/spec2000/fp/ammp/release-xp64-test/ammp.out.mis
0023: 1184.181101 bond energy
1.#QNAN0 bond energy
^
0024: 2142.294444 angle energy
66.916289 angle energy
^
0025: 58.175584 hybrid energy
1.#QNAN0 hybrid energy
^
0026: 528.275613 torsion energy
1.#QNAN0 torsion energy
^
0027: -15510.199509 non-bonded energy
1.#QNAN0 non-bonded energy
^
0028: -11597.272767 total potential energy
1.#QNAN0 total potential energy
^
0029: 8562.611532 total kinetic energy
1.#QNAN0 total kinetic energy
^
0030: -3034.661236 total energy
1.#QNAN0 total energy
^
0031: 20159.884299 total action
1.#QNAN0 total action
^
0035: RMSD 0.000003 Maximum Deviation 0.000015
RMSD 1.#QNAN0 Maximum Deviation 0.249758
^
0036: RMSD after superposition 0.000003
RMSD after superposition 1.#QNAN0
Original issue: http://code.google.com/p/drmemory/issues/detail?id=90
The text was updated successfully, but these errors were encountered: